EY6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C06 | doub | 1.34Å | 1.35Å | Aromatic |
| C05 | C04 | sing | 1.46Å | 1.34Å | Aromatic |
| C06 | N07 | sing | 1.37Å | 1.33Å | Aromatic |
| C04 | C08 | doub | 1.40Å | 1.56Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.35Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.49Å | Aromatic |
| N07 | C03 | sing | 1.38Å | 1.33Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.55Å | Aromatic |
| C09 | O10 | sing | 1.36Å | 1.41Å | |
| C09 | C01 | doub | 1.39Å | 1.48Å | Aromatic |
| F13 | C12 | sing | 1.40Å | 1.37Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| O10 | C11 | sing | 1.43Å | 1.40Å | |
| C02 | C01 | sing | 1.38Å | 1.50Å | Aromatic |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C05 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| N07 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C05 | C04 | 108.2° | 107.0° |
| C05 | C06 | N07 | 107.5° | 110.0° |
| C06 | C05 | H3 | 125.9° | 126.5° |
| C05 | C06 | H4 | 126.3° | 125.0° |
| C05 | C04 | C08 | 131.3° | 133.9° |
| C05 | C04 | C03 | 107.2° | 106.1° |
| C04 | C05 | H3 | 125.9° | 126.5° |
| C06 | N07 | C03 | 108.8° | 109.8° |
| N07 | C06 | H4 | 126.3° | 125.0° |
| C06 | N07 | H10 | 125.6° | 125.1° |
| C08 | C04 | C03 | 121.5° | 120.0° |
| C04 | C08 | C09 | 120.3° | 119.6° |
| C04 | C08 | H5 | 119.8° | 120.2° |
| C04 | C03 | N07 | 108.3° | 107.1° |
| C04 | C03 | C02 | 120.7° | 119.5° |
| C08 | C09 | O10 | 122.0° | 119.9° |
| C08 | C09 | C01 | 117.4° | 120.3° |
| C09 | C08 | H5 | 119.9° | 120.2° |
| N07 | C03 | C02 | 131.0° | 133.4° |
| C03 | N07 | H10 | 125.6° | 125.1° |
| C03 | C02 | C01 | 118.4° | 120.0° |
| C03 | C02 | H2 | 120.8° | 120.0° |
| O10 | C09 | C01 | 120.6° | 119.9° |
| C09 | O10 | C11 | 117.4° | 117.0° |
| C09 | C01 | C02 | 121.7° | 120.6° |
| C09 | C01 | H1 | 119.2° | 119.7° |
| F13 | C12 | C11 | 114.2° | 109.5° |
| F13 | C12 | H8 | 108.3° | 109.4° |
| F13 | C12 | H9 | 108.3° | 109.4° |
| C12 | C11 | O10 | 113.2° | 109.5° |
| C12 | C11 | H6 | 108.5° | 109.5° |
| C12 | C11 | H7 | 108.6° | 109.5° |
| C11 | C12 | H8 | 108.3° | 109.5° |
| C11 | C12 | H9 | 108.3° | 109.5° |
| O10 | C11 | H6 | 108.6° | 109.4° |
| O10 | C11 | H7 | 108.5° | 109.5° |
| C02 | C01 | H1 | 119.2° | 119.6° |
| C01 | C02 | H2 | 120.8° | 120.0° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C05 | C04 | H3 | 180.0° | 179.8° |
| C05 | C06 | N07 | H4 | 180.0° | 179.7° |
| C06 | C05 | C04 | C08 | 179.8° | 180.0° |
| C06 | C05 | C04 | C03 | 0.9° | 0.3° |
| C05 | C06 | N07 | C03 | 0.5° | 0.1° |
| C05 | C06 | N07 | H10 | 179.5° | 180.0° |
| C04 | C05 | C06 | N07 | 0.8° | 0.2° |
| C05 | C04 | C08 | C03 | 179.3° | 179.7° |
| C05 | C04 | C08 | C09 | 178.7° | 180.0° |
| C05 | C04 | C03 | N07 | 0.6° | 0.2° |
| C05 | C04 | C03 | C02 | 179.1° | 179.8° |
| C04 | C05 | C06 | H4 | 179.1° | 180.0° |
| C05 | C04 | C08 | H5 | 1.3° | 0.3° |
| C06 | N07 | C03 | C04 | 0.1° | 0.1° |
| C06 | N07 | C03 | H10 | 180.0° | 179.9° |
| C06 | N07 | C03 | C02 | 179.6° | 179.9° |
| N07 | C06 | C05 | H3 | 179.2° | 180.0° |
| C04 | C08 | C09 | H5 | 180.0° | 179.7° |
| C08 | C04 | C03 | N07 | 180.0° | 180.0° |
| C08 | C04 | C03 | C02 | 0.3° | 0.0° |
| C04 | C08 | C09 | O10 | 179.3° | 180.0° |
| C04 | C08 | C09 | C01 | 0.6° | 0.6° |
| C08 | C04 | C05 | H3 | 0.3° | 0.2° |
| C03 | C04 | C08 | C09 | 0.5° | 0.3° |
| C04 | C03 | N07 | C02 | 179.7° | 180.0° |
| C04 | C03 | C02 | C01 | 0.2° | 0.0° |
| C04 | C03 | C02 | H2 | 179.8° | 180.0° |
| C03 | C04 | C05 | H3 | 179.1° | 180.0° |
| C03 | C04 | C08 | H5 | 179.4° | 180.0° |
| C04 | C03 | N07 | H10 | 180.0° | 179.8° |
| C08 | C09 | O10 | C01 | 179.8° | 179.4° |
| C08 | C09 | O10 | C11 | 110.3° | 180.0° |
| C08 | C09 | C01 | C02 | 0.4° | 0.6° |
| C08 | C09 | C01 | H1 | 179.5° | 179.7° |
| N07 | C03 | C02 | C01 | 179.8° | 180.0° |
| N07 | C03 | C02 | H2 | 0.2° | 0.1° |
| C03 | N07 | C06 | H4 | 179.5° | 179.9° |
| C03 | C02 | C01 | C09 | 0.2° | 0.3° |
| C03 | C02 | C01 | H2 | 180.0° | 179.9° |
| C03 | C02 | C01 | H1 | 179.7° | 180.0° |
| C02 | C03 | N07 | H10 | 0.4° | 0.2° |
| C09 | O10 | C11 | C12 | 136.3° | 180.0° |
| O10 | C09 | C01 | C02 | 179.4° | 180.0° |
| O10 | C09 | C01 | H1 | 0.6° | 0.3° |
| O10 | C09 | C08 | H5 | 0.8° | 0.3° |
| C09 | O10 | C11 | H6 | 103.1° | 60.0° |
| C09 | O10 | C11 | H7 | 15.8° | 60.0° |
| C01 | C09 | O10 | C11 | 69.5° | 0.6° |
| C09 | C01 | C02 | H1 | 180.0° | 179.7° |
| C09 | C01 | C02 | H2 | 179.8° | 179.8° |
| C01 | C09 | C08 | H5 | 179.4° | 179.8° |
| F13 | C12 | C11 | H8 | 120.7° | 120.0° |
| F13 | C12 | C11 | H9 | 120.7° | 119.9° |
| F13 | C12 | C11 | O10 | 138.9° | 65.0° |
| F13 | C12 | C11 | H6 | 100.6° | 175.0° |
| F13 | C12 | C11 | H7 | 18.3° | 55.0° |
| F13 | C12 | H8 | H9 | 117.8° | 120.0° |
| C12 | C11 | O10 | H6 | 120.6° | 120.0° |
| C12 | C11 | O10 | H7 | 120.6° | 120.0° |
| C12 | C11 | H6 | H7 | 118.3° | 120.0° |
| C11 | C12 | H8 | H9 | 117.9° | 120.0° |
| O10 | C11 | H6 | H7 | 118.3° | 120.0° |
| O10 | C11 | C12 | H8 | 18.1° | 175.0° |
| O10 | C11 | C12 | H9 | 100.5° | 54.9° |
| H1 | C01 | C02 | H2 | 0.3° | 0.0° |
| H3 | C05 | C06 | H4 | 0.9° | 0.3° |
| H4 | C06 | N07 | H10 | 0.5° | 0.3° |
| H6 | C11 | C12 | H8 | 138.7° | 55.0° |
| H6 | C11 | C12 | H9 | 20.1° | 65.0° |
| H7 | C11 | C12 | H8 | 102.4° | 65.0° |
| H7 | C11 | C12 | H9 | 139.0° | 175.0° |
